SCHEMBL29331815

SCHEMBL29331815

COC(=O)c1c(SC)[nH]c(-c2ccccc2)nc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
ERCC1 P07992 1/20 0.52
FEN1 P39748 1/20 0.52
ERCC4 Q92889 1/20 0.52
TNKS O95271 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
RAF1 P04049 1/20 0.43
XDH P47989 1/20 0.42
IDO1 P14902 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25138647 0.81 SMN1; SMN2 (0.66) SMN1; SMN2ERCC1FEN1ERCC4TNKS
SCHEMBL9543700 0.79 SMN1; SMN2 (0.64) SMN1; SMN2ERCC1FEN1ERCC4TNKS
SCHEMBL8677247 0.70 SMN1; SMN2 (0.62) SMN1; SMN2ERCC1FEN1ERCC4TNKS
SCHEMBL28582957 0.69 ERCC1 (0.68) SMN1; SMN2ERCC1FEN1ERCC4TNKS
SCHEMBL4607219 0.69 ERCC1 (0.56) SMN1; SMN2ERCC1FEN1ERCC4TNKS
SCHEMBL4604205 0.69 ERCC1 (0.56) SMN1; SMN2ERCC1FEN1ERCC4TNKS
SCHEMBL13522593 0.69 ERCC1 (0.68) SMN1; SMN2ERCC1FEN1ERCC4TNKS
SCHEMBL1081897 0.68 DHODH (0.52) SMN1; SMN2ERCC1FEN1ERCC4TNKS
SCHEMBL28916010 0.67 ERCC1 (0.64) SMN1; SMN2ERCC1FEN1ERCC4TNKS
SCHEMBL4145561 0.67 PKN1 (0.56) SMN1; SMN2ERCC1FEN1ERCC4TNKS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024147995-A1 COMPOSITIONS, FORMULATIONS, AND METHODS FOR HAIR TREATMENT ODDITY LABS, LLC (US) 2024-07-11 WO disclosed